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Berechnung von thermodynamischen Isotopieeffekten einfacher Fluide über Quantenkorrekturen und isotopiebedingte Unterschiede in Potentialparametern

 

作者: H. Schmid,  

 

期刊: Isotopenpraxis Isotopes in Environmental and Health Studies  (Taylor Available online 1985)
卷期: Volume 21, issue 6  

页码: 199-203

 

ISSN:0021-1915

 

年代: 1985

 

DOI:10.1080/10256018508623488

 

出版商: Taylor & Francis Group

 

关键词: fluids;intermolecular forces;isotope effects;methane;rare gases;thermodynamic properties

 

数据来源: Taylor

 

摘要:

Formulae are given for thermodynamic isotope effects of simple fluids. These fluids are here treated as hard-sphere and square-well systems. A special method, the micropotential method, is used for the calculation oj classical thermodynamic functions. Quantum corrections to these functions are also given. Isotope effects due to the variation of the total mass (mass effects) are related to the estimation of quantum corrections of thermodynamic functions. Isotope effects due to the variation of potential parameters (potential effects) are calculated for methane. The potential effects of methnne are of the same order of magnitude as the corresponding mass effects.

 

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